5-(5,5-Dimethyl-1,3-dioxan-2-yl)-1-(9-phenanthryl)-1-pentanone
[CAS# 898756-50-8]

Identification

• Name: 5-(5,5-Dimethyl-1,3-dioxan-2-yl)-1-(9-phenanthryl)-1-pentanone
• Synonyms: 9-[5-(5,5-dimethyl-1,3-dioxan-2-yl)valeryl]phenanthrene
• Molecular Formula: C₂₅H₂₈O₃
• Molecular Weight: 376.49
• CAS Registry Number: 898756-50-8
• SMILES: CC4(C)COC(CCCCC(=O)c2cc3ccccc3c1ccccc12)OC4
• InChI: 1S/C25H28O3/c1-25(2)16-27-24(28-17-25)14-8-7-13-23(26)22-15-18-9-3-4-10-19(18)20-11-5-6-12-21(20)22/h3-6,9-12,15,24H,7-8,13-14,16-17H2,1-2H3
• InChIKey: COZHCQXBYBQRRM-UHFFFAOYSA-N

Properties

• Density: 1.102g/cm³ (Cal.)
• Boiling point: 539.782°C at 760 mmHg (Cal.)
• Flash point: 272.865°C (Cal.)
• Refractive index: 1.587 (Cal.)